SCHEMBL5570435

SCHEMBL5570435

Nc1ncc(-c2cccnc2)cc1-c1nn(CCO)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
FYN P06241 2/20 0.42
MET P08581 4/20 0.40
USP7 Q93009 1/20 0.38
JAK2 O60674 2/20 0.38
AKT1 P31749 2/20 0.37
AKT2 P31751 2/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
MAP4K4 O95819 3/20 0.36
P2RX7 Q99572 1/20 0.36
MAT2A P31153 1/20 0.35
PTPN11 Q06124 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5565678 0.87 L3MBTL1 (0.46) CHEK2FYNUSP7JAK2AKT1
SCHEMBL5565497 0.86 FYN (0.49) CHEK2FYNUSP7JAK2AKT1
SCHEMBL5565467 0.86 FYN (0.41) CHEK2FYNJAK2AKT1AKT2
SCHEMBL5567386 0.83 CNR2 (0.55) METPTPN11
SCHEMBL5570409 0.82 MET (0.38) FYNMETUSP7MAP4K4PTPN11
SCHEMBL5568973 0.80 TNIK (0.44) FYNPTPN11
SCHEMBL5570352 0.78 FYN (0.41) CHEK2FYNMETJAK2AKT1
SCHEMBL5567001 0.77 HCRTR1 (0.45) AKT1AKT2
SCHEMBL984911 0.74 FYN (0.47) CHEK2FYNUSP7JAK2AKT1
SCHEMBL11946789 0.73 FYN (0.46) CHEK2FYNUSP7JAK2AKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 CHEK2 134/4885FYN 392/4885MET 1/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHEK2 134/4885FYN 392/4885MET 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.